# generated using pymatgen
data_Zr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.23166668
_cell_length_b   23.23264199
_cell_length_c   47.80893524
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.97985678
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cu
_chemical_formula_sum   'Zr216 Cu108'
_cell_volume   15035.5507484
_cell_formula_units_Z   108
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr1  1  0.344457  0.689961  0.322163  1
  Zr  Zr2  1  0.011124  0.689961  0.322163  1
  Zr  Zr3  1  0.935714  0.206438  0.303710  1
  Zr  Zr4  1  0.677791  0.689961  0.322163  1
  Zr  Zr5  1  0.602381  0.206438  0.303710  1
  Zr  Zr6  1  0.269047  0.206438  0.303710  1
  Zr  Zr7  1  0.467443  0.602726  0.310583  1
  Zr  Zr8  1  0.134110  0.602726  0.310583  1
  Zr  Zr9  1  0.871306  0.077431  0.332006  1
  Zr  Zr10  1  0.800776  0.602726  0.310583  1
  Zr  Zr11  1  0.537972  0.077431  0.332006  1
  Zr  Zr12  1  0.204639  0.077431  0.332006  1
  Zr  Zr13  1  0.401053  0.470305  0.291895  1
  Zr  Zr14  1  0.067719  0.470305  0.291895  1
  Zr  Zr15  1  0.802832  0.940895  0.312994  1
  Zr  Zr16  1  0.734386  0.470305  0.291895  1
  Zr  Zr17  1  0.469499  0.940895  0.312994  1
  Zr  Zr18  1  0.136166  0.940895  0.312994  1
  Zr  Zr19  1  1.002961  0.340602  0.320504  1
  Zr  Zr20  1  0.669628  0.340602  0.320504  1
  Zr  Zr21  1  0.594500  0.858181  0.301540  1
  Zr  Zr22  1  0.336295  0.340602  0.320504  1
  Zr  Zr23  1  0.261167  0.858181  0.301540  1
  Zr  Zr24  1  0.927834  0.858181  0.301540  1
  Zr  Zr25  1  0.159086  0.652817  0.370823  1
  Zr  Zr26  1  0.825753  0.652817  0.370823  1
  Zr  Zr27  1  0.751615  0.171654  0.344789  1
  Zr  Zr28  1  0.492420  0.652817  0.370823  1
  Zr  Zr29  1  0.418281  0.171654  0.344789  1
  Zr  Zr30  1  0.084948  0.171654  0.344789  1
  Zr  Zr31  1  0.281418  0.564122  0.355818  1
  Zr  Zr32  1  0.948084  0.564122  0.355818  1
  Zr  Zr33  1  0.688624  0.045334  0.378518  1
  Zr  Zr34  1  0.614751  0.564122  0.355818  1
  Zr  Zr35  1  0.355290  0.045334  0.378518  1
  Zr  Zr36  1  0.021957  0.045334  0.378518  1
  Zr  Zr37  1  0.215143  0.431833  0.332550  1
  Zr  Zr38  1  0.881810  0.431833  0.332550  1
  Zr  Zr39  1  0.622233  0.912785  0.360089  1
  Zr  Zr40  1  0.548477  0.431833  0.332550  1
  Zr  Zr41  1  0.288900  0.912785  0.360089  1
  Zr  Zr42  1  0.955567  0.912785  0.360089  1
  Zr  Zr43  1  0.818035  0.304197  0.366917  1
  Zr  Zr44  1  0.484702  0.304197  0.366917  1
  Zr  Zr45  1  0.409628  0.820456  0.347520  1
  Zr  Zr46  1  0.151368  0.304197  0.366917  1
  Zr  Zr47  1  0.076295  0.820456  0.347520  1
  Zr  Zr48  1  0.742961  0.820456  0.347520  1
  Zr  Zr49  1  0.974562  0.617244  0.418721  1
  Zr  Zr50  1  0.641229  0.617244  0.418721  1
  Zr  Zr51  1  0.567153  0.135981  0.392946  1
  Zr  Zr52  1  0.307895  0.617244  0.418721  1
  Zr  Zr53  1  0.233820  0.135981  0.392946  1
  Zr  Zr54  1  0.900487  0.135981  0.392946  1
  Zr  Zr55  1  0.096770  0.528227  0.404273  1
  Zr  Zr56  1  0.763437  0.528227  0.404273  1
  Zr  Zr57  1  0.505264  0.012039  0.427481  1
  Zr  Zr58  1  0.430103  0.528227  0.404273  1
  Zr  Zr59  1  0.171930  0.012039  0.427481  1
  Zr  Zr60  1  0.838597  0.012039  0.427481  1
  Zr  Zr61  1  0.030066  0.395044  0.381263  1
  Zr  Zr62  1  0.696733  0.395044  0.381263  1
  Zr  Zr63  1  0.438122  0.877915  0.407400  1
  Zr  Zr64  1  0.363400  0.395044  0.381263  1
  Zr  Zr65  1  0.104789  0.877915  0.407400  1
  Zr  Zr66  1  0.771456  0.877915  0.407400  1
  Zr  Zr67  1  0.634093  0.269676  0.415677  1
  Zr  Zr68  1  0.300760  0.269676  0.415677  1
  Zr  Zr69  1  0.225545  0.785514  0.390956  1
  Zr  Zr70  1  0.967426  0.269676  0.415677  1
  Zr  Zr71  1  0.892212  0.785514  0.390956  1
  Zr  Zr72  1  0.558878  0.785514  0.390956  1
  Zr  Zr73  1  0.790524  0.582670  0.466244  1
  Zr  Zr74  1  0.457191  0.582670  0.466244  1
  Zr  Zr75  1  0.382681  0.100378  0.441881  1
  Zr  Zr76  1  0.123858  0.582670  0.466244  1
  Zr  Zr77  1  0.049348  0.100378  0.441881  1
  Zr  Zr78  1  0.716015  0.100378  0.441881  1
  Zr  Zr79  1  0.911917  0.491901  0.451476  1
  Zr  Zr80  1  0.578583  0.491901  0.451476  1
  Zr  Zr81  1  0.320539  0.975965  0.476003  1
  Zr  Zr82  1  0.245250  0.491901  0.451476  1
  Zr  Zr83  1  0.987206  0.975965  0.476003  1
  Zr  Zr84  1  0.653873  0.975965  0.476003  1
  Zr  Zr85  1  0.845296  0.358896  0.429795  1
  Zr  Zr86  1  0.511962  0.358896  0.429795  1
  Zr  Zr87  1  0.253450  0.841924  0.454499  1
  Zr  Zr88  1  0.178629  0.358896  0.429795  1
  Zr  Zr89  1  0.920117  0.841924  0.454499  1
  Zr  Zr90  1  0.586784  0.841924  0.454499  1
  Zr  Zr91  1  0.449388  0.233592  0.463260  1
  Zr  Zr92  1  0.116054  0.233592  0.463260  1
  Zr  Zr93  1  0.041874  0.751669  0.438947  1
  Zr  Zr94  1  0.782721  0.233592  0.463260  1
  Zr  Zr95  1  0.708541  0.751669  0.438947  1
  Zr  Zr96  1  0.375208  0.751669  0.438947  1
  Zr  Zr97  1  0.606057  0.547203  0.513861  1
  Zr  Zr98  1  0.272724  0.547203  0.513861  1
  Zr  Zr99  1  0.198541  0.065496  0.490316  1
  Zr  Zr100  1  0.939391  0.547203  0.513861  1
  Zr  Zr101  1  0.865208  0.065496  0.490316  1
  Zr  Zr102  1  0.531875  0.065496  0.490316  1
  Zr  Zr103  1  0.727801  0.457088  0.499095  1
  Zr  Zr104  1  0.394467  0.457088  0.499095  1
  Zr  Zr105  1  0.135977  0.940207  0.523777  1
  Zr  Zr106  1  0.061134  0.457088  0.499095  1
  Zr  Zr107  1  0.802644  0.940207  0.523777  1
  Zr  Zr108  1  0.469310  0.940207  0.523777  1
  Zr  Zr109  1  0.661096  0.323888  0.477750  1
  Zr  Zr110  1  0.327763  0.323888  0.477750  1
  Zr  Zr111  1  0.069176  0.806785  0.502263  1
  Zr  Zr112  1  0.994429  0.323888  0.477750  1
  Zr  Zr113  1  0.735843  0.806785  0.502263  1
  Zr  Zr114  1  0.402510  0.806785  0.502263  1
  Zr  Zr115  1  0.265207  0.198588  0.510969  1
  Zr  Zr116  1  0.931874  0.198588  0.510969  1
  Zr  Zr117  1  0.857470  0.716373  0.487449  1
  Zr  Zr118  1  0.598540  0.198588  0.510969  1
  Zr  Zr119  1  0.524137  0.716373  0.487449  1
  Zr  Zr120  1  0.190804  0.716373  0.487449  1
  Zr  Zr121  1  0.421610  0.511790  0.562346  1
  Zr  Zr122  1  0.088276  0.511790  0.562346  1
  Zr  Zr123  1  0.014340  0.030468  0.538103  1
  Zr  Zr124  1  0.754943  0.511790  0.562346  1
  Zr  Zr125  1  0.681007  0.030468  0.538103  1
  Zr  Zr126  1  0.347674  0.030468  0.538103  1
  Zr  Zr127  1  0.543675  0.422248  0.547242  1
  Zr  Zr128  1  0.210341  0.422248  0.547242  1
  Zr  Zr129  1  0.951731  0.905116  0.571577  1
  Zr  Zr130  1  0.877008  0.422248  0.547242  1
  Zr  Zr131  1  0.618398  0.905116  0.571577  1
  Zr  Zr132  1  0.285064  0.905116  0.571577  1
  Zr  Zr133  1  0.476686  0.288420  0.525491  1
  Zr  Zr134  1  0.143352  0.288420  0.525491  1
  Zr  Zr135  1  0.885027  0.771910  0.549828  1
  Zr  Zr136  1  0.810019  0.288420  0.525491  1
  Zr  Zr137  1  0.551694  0.771910  0.549828  1
  Zr  Zr138  1  0.218361  0.771910  0.549828  1
  Zr  Zr139  1  0.081064  0.163699  0.559273  1
  Zr  Zr140  1  0.747731  0.163699  0.559273  1
  Zr  Zr141  1  0.672912  0.680727  0.535224  1
  Zr  Zr142  1  0.414397  0.163699  0.559273  1
  Zr  Zr143  1  0.339578  0.680727  0.535224  1
  Zr  Zr144  1  1.006245  0.680727  0.535224  1
  Zr  Zr145  1  0.237784  0.477610  0.611262  1
  Zr  Zr146  1  0.904451  0.477610  0.611262  1
  Zr  Zr147  1  0.829556  0.994250  0.585671  1
  Zr  Zr148  1  0.571118  0.477610  0.611262  1
  Zr  Zr149  1  0.496223  0.994250  0.585671  1
  Zr  Zr150  1  0.162889  0.994250  0.585671  1
  Zr  Zr151  1  0.359191  0.386616  0.594957  1
  Zr  Zr152  1  0.025858  0.386616  0.594957  1
  Zr  Zr153  1  0.766973  0.868998  0.620021  1
  Zr  Zr154  1  0.692525  0.386616  0.594957  1
  Zr  Zr155  1  0.433639  0.868998  0.620021  1
  Zr  Zr156  1  0.100306  0.868998  0.620021  1
  Zr  Zr157  1  0.292029  0.252468  0.573708  1
  Zr  Zr158  1  0.958696  0.252468  0.573708  1
  Zr  Zr159  1  0.700295  0.735838  0.596977  1
  Zr  Zr160  1  0.625362  0.252468  0.573708  1
  Zr  Zr161  1  0.366962  0.735838  0.596977  1
  Zr  Zr162  1  0.033628  0.735838  0.596977  1
  Zr  Zr163  1  0.896424  0.127800  0.608144  1
  Zr  Zr164  1  0.563091  0.127800  0.608144  1
  Zr  Zr165  1  0.488817  0.646033  0.582609  1
  Zr  Zr166  1  0.229758  0.127800  0.608144  1
  Zr  Zr167  1  0.155484  0.646033  0.582609  1
  Zr  Zr168  1  0.822150  0.646033  0.582609  1
  Zr  Zr169  1  0.054558  0.444368  0.657017  1
  Zr  Zr170  1  0.721225  0.444368  0.657017  1
  Zr  Zr171  1  0.645604  0.959721  0.634330  1
  Zr  Zr172  1  0.387892  0.444368  0.657017  1
  Zr  Zr173  1  0.312270  0.959721  0.634330  1
  Zr  Zr174  1  0.978937  0.959721  0.634330  1
  Zr  Zr175  1  0.174297  0.350147  0.641982  1
  Zr  Zr176  1  0.840964  0.350147  0.641982  1
  Zr  Zr177  1  0.581921  0.832269  0.668817  1
  Zr  Zr178  1  0.507631  0.350147  0.641982  1
  Zr  Zr179  1  0.248588  0.832269  0.668817  1
  Zr  Zr180  1  0.915254  0.832269  0.668817  1
  Zr  Zr181  1  0.108024  0.217873  0.622398  1
  Zr  Zr182  1  0.774691  0.217873  0.622398  1
  Zr  Zr183  1  0.516002  0.700689  0.645244  1
  Zr  Zr184  1  0.441357  0.217873  0.622398  1
  Zr  Zr185  1  0.182669  0.700689  0.645244  1
  Zr  Zr186  1  0.849336  0.700689  0.645244  1
  Zr  Zr187  1  0.711910  0.092052  0.656591  1
  Zr  Zr188  1  0.378577  0.092052  0.656591  1
  Zr  Zr189  1  0.304758  0.611474  0.630090  1
  Zr  Zr190  1  0.045243  0.092052  0.656591  1
  Zr  Zr191  1  0.971425  0.611474  0.630090  1
  Zr  Zr192  1  0.638091  0.611474  0.630090  1
  Zr  Zr193  1  0.870637  0.408995  0.699209  1
  Zr  Zr194  1  0.537303  0.408995  0.699209  1
  Zr  Zr195  1  0.460611  0.923164  0.680705  1
  Zr  Zr196  1  0.203970  0.408995  0.699209  1
  Zr  Zr197  1  0.127278  0.923164  0.680705  1
  Zr  Zr198  1  0.793945  0.923164  0.680705  1
  Zr  Zr199  1  0.992135  0.319174  0.687982  1
  Zr  Zr200  1  0.658802  0.319174  0.687982  1
  Zr  Zr201  1  0.396133  0.794000  0.709564  1
  Zr  Zr202  1  0.325469  0.319174  0.687982  1
  Zr  Zr203  1  0.062799  0.794000  0.709564  1
  Zr  Zr204  1  0.729466  0.794000  0.709564  1
  Zr  Zr205  1  0.924823  0.184821  0.669050  1
  Zr  Zr206  1  0.591489  0.184821  0.669050  1
  Zr  Zr207  1  0.329830  0.661772  0.690629  1
  Zr  Zr208  1  0.258156  0.184821  0.669050  1
  Zr  Zr209  1  0.996497  0.661772  0.690629  1
  Zr  Zr210  1  0.663164  0.661772  0.690629  1
  Zr  Zr211  1  0.527573  0.056743  0.697912  1
  Zr  Zr212  1  0.194239  0.056743  0.697912  1
  Zr  Zr213  1  0.120855  0.577337  0.678499  1
  Zr  Zr214  1  0.860906  0.056743  0.697912  1
  Zr  Zr215  1  0.787522  0.577337  0.678499  1
  Zr  Zr216  1  0.454188  0.577337  0.678499  1
  Cu  Cu217  1  0.138094  0.277622  0.309060  1
  Cu  Cu218  1  0.804760  0.277622  0.309060  1
  Cu  Cu219  1  0.734324  0.805013  0.292411  1
  Cu  Cu220  1  0.471427  0.277622  0.309060  1
  Cu  Cu221  1  0.400991  0.805013  0.292411  1
  Cu  Cu222  1  0.067658  0.805013  0.292411  1
  Cu  Cu223  1  0.270590  0.542443  0.297929  1
  Cu  Cu224  1  0.937257  0.542443  0.297929  1
  Cu  Cu225  1  0.669546  0.007381  0.320212  1
  Cu  Cu226  1  0.603923  0.542443  0.297929  1
  Cu  Cu227  1  0.336213  0.007381  0.320212  1
  Cu  Cu228  1  1.002879  0.007381  0.320212  1
  Cu  Cu229  1  0.952440  0.239922  0.357796  1
  Cu  Cu230  1  0.619107  0.239922  0.357796  1
  Cu  Cu231  1  0.542423  0.752045  0.331242  1
  Cu  Cu232  1  0.285773  0.239922  0.357796  1
  Cu  Cu233  1  0.209090  0.752045  0.331242  1
  Cu  Cu234  1  0.875756  0.752045  0.331242  1
  Cu  Cu235  1  0.082014  0.498860  0.346454  1
  Cu  Cu236  1  0.748680  0.498860  0.346454  1
  Cu  Cu237  1  0.488923  0.979339  0.369372  1
  Cu  Cu238  1  0.415347  0.498860  0.346454  1
  Cu  Cu239  1  0.155590  0.979339  0.369372  1
  Cu  Cu240  1  0.822256  0.979339  0.369372  1
  Cu  Cu241  1  0.767016  0.202274  0.404360  1
  Cu  Cu242  1  0.433682  0.202274  0.404360  1
  Cu  Cu243  1  0.357538  0.716205  0.380956  1
  Cu  Cu244  1  0.100349  0.202274  0.404360  1
  Cu  Cu245  1  0.024205  0.716205  0.380956  1
  Cu  Cu246  1  0.690871  0.716205  0.380956  1
  Cu  Cu247  1  0.896445  0.461004  0.392405  1
  Cu  Cu248  1  0.563112  0.461004  0.392405  1
  Cu  Cu249  1  0.305362  0.945708  0.418065  1
  Cu  Cu250  1  0.229778  0.461004  0.392405  1
  Cu  Cu251  1  0.972028  0.945708  0.418065  1
  Cu  Cu252  1  0.638695  0.945708  0.418065  1
  Cu  Cu253  1  0.582416  0.166391  0.451986  1
  Cu  Cu254  1  0.249083  0.166391  0.451986  1
  Cu  Cu255  1  0.174948  0.684556  0.428918  1
  Cu  Cu256  1  0.915749  0.166391  0.451986  1
  Cu  Cu257  1  0.841615  0.684556  0.428918  1
  Cu  Cu258  1  0.508282  0.684556  0.428918  1
  Cu  Cu259  1  0.711730  0.424955  0.440050  1
  Cu  Cu260  1  0.378397  0.424955  0.440050  1
  Cu  Cu261  1  0.120746  0.909795  0.465199  1
  Cu  Cu262  1  0.045064  0.424955  0.440050  1
  Cu  Cu263  1  0.787413  0.909795  0.465199  1
  Cu  Cu264  1  0.454079  0.909795  0.465199  1
  Cu  Cu265  1  0.398498  0.131954  0.500614  1
  Cu  Cu266  1  0.065165  0.131954  0.500614  1
  Cu  Cu267  1  0.990940  0.650082  0.476824  1
  Cu  Cu268  1  0.731831  0.131954  0.500614  1
  Cu  Cu269  1  0.657607  0.650082  0.476824  1
  Cu  Cu270  1  0.324274  0.650082  0.476824  1
  Cu  Cu271  1  0.527652  0.390230  0.488519  1
  Cu  Cu272  1  0.194318  0.390230  0.488519  1
  Cu  Cu273  1  0.936145  0.873968  0.512983  1
  Cu  Cu274  1  0.860985  0.390230  0.488519  1
  Cu  Cu275  1  0.602811  0.873968  0.512983  1
  Cu  Cu276  1  0.269478  0.873968  0.512983  1
  Cu  Cu277  1  0.214593  0.097552  0.549250  1
  Cu  Cu278  1  0.881260  0.097552  0.549250  1
  Cu  Cu279  1  0.805900  0.613454  0.524541  1
  Cu  Cu280  1  0.547926  0.097552  0.549250  1
  Cu  Cu281  1  0.472567  0.613454  0.524541  1
  Cu  Cu282  1  0.139233  0.613454  0.524541  1
  Cu  Cu283  1  0.343354  0.355014  0.536511  1
  Cu  Cu284  1  0.010020  0.355014  0.536511  1
  Cu  Cu285  1  0.751950  0.839017  0.561294  1
  Cu  Cu286  1  0.676687  0.355014  0.536511  1
  Cu  Cu287  1  0.418616  0.839017  0.561294  1
  Cu  Cu288  1  0.085283  0.839017  0.561294  1
  Cu  Cu289  1  0.030031  0.061786  0.596895  1
  Cu  Cu290  1  0.696698  0.061786  0.596895  1
  Cu  Cu291  1  0.621520  0.578181  0.572313  1
  Cu  Cu292  1  0.363364  0.061786  0.596895  1
  Cu  Cu293  1  0.288187  0.578181  0.572313  1
  Cu  Cu294  1  0.954853  0.578181  0.572313  1
  Cu  Cu295  1  0.158721  0.319054  0.583696  1
  Cu  Cu296  1  0.825388  0.319054  0.583696  1
  Cu  Cu297  1  0.567364  0.803240  0.608867  1
  Cu  Cu298  1  0.492055  0.319054  0.583696  1
  Cu  Cu299  1  0.234031  0.803240  0.608867  1
  Cu  Cu300  1  0.900698  0.803240  0.608867  1
  Cu  Cu301  1  0.844634  0.024224  0.643602  1
  Cu  Cu302  1  0.511301  0.024224  0.643602  1
  Cu  Cu303  1  0.438371  0.545455  0.620718  1
  Cu  Cu304  1  0.177968  0.024224  0.643602  1
  Cu  Cu305  1  0.105038  0.545455  0.620718  1
  Cu  Cu306  1  0.771705  0.545455  0.620718  1
  Cu  Cu307  1  0.974090  0.283203  0.631759  1
  Cu  Cu308  1  0.640756  0.283203  0.631759  1
  Cu  Cu309  1  0.381894  0.765612  0.654876  1
  Cu  Cu310  1  0.307423  0.283203  0.631759  1
  Cu  Cu311  1  0.048560  0.765612  0.654876  1
  Cu  Cu312  1  0.715227  0.765612  0.654876  1
  Cu  Cu313  1  0.658660  0.985836  0.692243  1
  Cu  Cu314  1  0.325326  0.985836  0.692243  1
  Cu  Cu315  1  0.256907  0.516199  0.669449  1
  Cu  Cu316  1  0.991993  0.985836  0.692243  1
  Cu  Cu317  1  0.923574  0.516199  0.669449  1
  Cu  Cu318  1  0.590241  0.516199  0.669449  1
  Cu  Cu319  1  0.792358  0.253161  0.680871  1
  Cu  Cu320  1  0.459025  0.253161  0.680871  1
  Cu  Cu321  1  0.193066  0.721467  0.703289  1
  Cu  Cu322  1  0.125691  0.253161  0.680871  1
  Cu  Cu323  1  0.859732  0.721467  0.703289  1
  Cu  Cu324  1  0.526399  0.721467  0.703289  1
